2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one

C8H8BrClN2OS — CID 130694047

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cc(Br)c(Cl)s2)NC1=O
InChIInChI=1S/C8H8BrClN2OS/c1-3-8(13)12-7(11-3)5-2-4(9)6(10)14-5/h2-3,7,11H,1H3,(H,12,13)
InChIKeyFEZCFWFLDINYAI-UHFFFAOYSA-N
MW295.59 g/mol
LogP2.27
Rot. Bonds1

About 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one

2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one (PubChem CID 130694047) has the molecular formula C8H8BrClN2OS and a molecular weight of 295.59 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one
PubChem CID130694047
Molecular FormulaC8H8BrClN2OS
Molecular Weight295.59 g/mol
Exact Mass293.92
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cc(Br)c(Cl)s2)NC1=O
InChIInChI=1S/C8H8BrClN2OS/c1-3-8(13)12-7(11-3)5-2-4(9)6(10)14-5/h2-3,7,11H,1H3,(H,12,13)
InChIKeyFEZCFWFLDINYAI-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one (CID 130694047) is 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one is CC1NC(c2cc(Br)c(Cl)s2)NC1=O.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one?
The InChIKey is FEZCFWFLDINYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2OS/c1-3-8(13)12-7(11-3)5-2-4(9)6(10)14-5/h2-3,7,11H,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one?
2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one has a molecular weight of 295.59 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 130694047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).